This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number: 3077-12-1
SMILES : OCCN(c(ccc(c1)C)c1)CCO
CHEM : Ethanol, 2,2 -[(4-methylphenyl)imino]bis-
MOL FOR: C11 H17 N1 O2
MOL WT : 195.26
------------------------------ EPI SUMMARY (v4.10) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 1.18
Log Kow (Exper. database match) = 1.09
Exper. Ref: SANGSTER (1993)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 342.62 (Adapted Stein & Brown method)
Melting Pt (deg C): 102.13 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 9.39E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 0.000125 (Modified Grain method)
BP (exp database): 339 deg C
Subcooled liquid VP: 5.31E-006 mm Hg (25 deg C, Mod-Grain method)
: 0.000708 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 5423
log Kow used: 1.09 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 2.4e+004 mg/L (37 deg C)
Exper. Ref: EPA
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.332e+005 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.23E-010 atm-m3/mole (2.26E-005 Pa-m3/mole)
Group Method: Incomplete
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 4.449E-011 atm-m3/mole (4.508E-006 Pa-m3/mole)
VP: 9.39E-007 mm Hg (source: MPBPVP)
WS: 5.42E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.09 (exp database)
Log Kaw used: -8.040 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.130
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8215
Biowin2 (Non-Linear Model) : 0.6955
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7580 (weeks )
Biowin4 (Primary Survey Model) : 3.4684 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6407
Biowin6 (MITI Non-Linear Model): 0.6372
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.6228
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.000708 Pa (5.31E-006 mm Hg)
Log Koa (Koawin est ): 9.130
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00424
Octanol/air (Koa) model: 0.000331
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.133
Mackay model : 0.253
Octanol/air (Koa) model: 0.0258
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 209.4810 E-12 cm3/molecule-sec
Half-Life = 0.051 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.613 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.193 (Junge-Pankow, Mackay avg)
0.0258 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 10 L/kg (MCI method)
Log Koc: 1.000 (MCI method)
Koc : 4.365 L/kg (Kow method)
Log Koc: 0.640 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.131 (BCF = 1.351 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.7834 days (HL = 0.01647 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.140 (BCF = 1.38)
Log BAF Arnot-Gobas method (upper trophic) = 0.140 (BAF = 1.38)
log Kow used: 1.09 (expkow database)
Volatilization from Water:
Henry LC: 2.23E-010 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.669E+006 hours (1.529E+005 days)
Half-Life from Model Lake : 4.002E+007 hours (1.668E+006 days)
Removal In Wastewater Treatment:
Total removal: 1.90 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.80 percent
Total to Air: 0.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.00534 1.23 1000
Water 30.9 360 1000
Soil 69.1 720 1000
Sediment 0.0695 3.24e+003 0
Persistence Time: 626 hr